[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

InChI

InChI=1S/C21H23ClN2O7/c1-12(2)10-30-20-16(22)7-14(8-18(20)29-4)21(26)31-11-19(25)23-17-9-15(24(27)28)6-5-13(17)3/h5-9,12H,10-11H2,1-4H3,(H,23,25)